7JRQ

Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.99
Spacegroup name	P 41 21 2
Unit cell lengths	45.322, 45.322, 164.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.680 - 1.750
R-factor	0.1981
Rwork	0.195
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tgy
RMSD bond length	0.008
RMSD bond angle	0.725
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.18_3861)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.680	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	18042	1510
<I/σ(I)>	5.2
Completeness [%]	99.2
Redundancy	8.7
CC(1/2)	0.977	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES pH 7.5, 0.8 M NaH2PO4, 0.8 M KH2PO4